Chemical Properties of Anthraquinone, 2-tert-butyl (CAS 84-47-9)

Anthraquinone, 2-tert-butyl

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InChI
InChI=1S/C18H16O2/c1-18(2,3)11-8-9-14-15(10-11)17(20)13-7-5-4-6-12(13)16(14)19/h4-10H,1-3H3
InChI Key
YTPSFXZMJKMUJE-UHFFFAOYSA-N
Formula
C18H16O2
SMILES
CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1C2=O
Molecular Weight1
264.32
CAS
84-47-9
Other Names
  • 2-tert-Butyl-9,10-anthraquinone
  • 2-tert-Butylanthraquinone
  • Anthraquinone, 2-tert-butyl-
  • «beta»-tert-Butylanthraquinone
Sources

Physical Properties

Property Value Unit Source
EA 1.56 ± 0.06 eV NIST
Δf 134.83 kJ/mol Joback Calculated Property
Δfgas -161.05 kJ/mol Joback Calculated Property
Δfus 20.06 kJ/mol Joback Calculated Property
Δvap 69.45 kJ/mol Joback Calculated Property
logPoct/wat 3.76 Crippen Calculated Property
Pc 2263.26 kPa Joback Calculated Property
Tboil 819.09 K Joback Calculated Property
Tc 1084.31 K Joback Calculated Property
Tfus 547.58 K Joback Calculated Property
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 616.33 J/mol×K 819.09 Joback Calculated Property
ΔvapH 101.40 kJ/mol 503.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 5
>C=O (ring) 2
>C< 1
-CH3 3
=CH- (ring) 7

Similar Compounds

9,10-Anthracenedione, 2-ethyl-. 9,10-Anthracenedione, 2-methyl-. 9,10-Anthracenedione, 1-methyl-. 9,10-Anthraquinone. 2-Bromo-3-methylanthraquinone. O-dibenzoylbenzene. Anthrone. 2,5-Dimethylbenzophenone. 2,3,4,5,6-Pentamethylbenzophenone. 5,12-Naphthacenedione. 6,13-Pentacenedione. 2,4-DIMETHYLBENZOPHENONE. 9,10-Anthracenedione, 1-amino-2-methyl-. 1-Chloro-2-methylanthraquinone. Benzophenone, 2,4,6-trimethyl-.

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